3-[4-(dimethylamino)pyridin-1-ium-1-yl]chromen-2-one bromide

Systemtic Name: 3-[4-(dimethylamino)pyridin-1-ium-1-yl]chromen-2-one bromide Openeye Name: 3-[4-(dimethylamino)pyridin-1-ium-1-yl]chromen-2-one bromide CAS Name: 3-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-benzopyran-2-one bromide IUPAC Name: 3-[4-(dimethylamino)pyridin-1-ium-1-yl]chromen-2-one bromide Traditional Name: 3-[4-(dimethylamino)pyridin-1-ium-1-yl]coumarin bromide Formula: C16H15BrN2O2 MolecularWeight: 347.2065

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C2=CC3=CC=CC=C3OC2=O.[Br-]

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)C2=CC3=CC=CC=C3OC2=O.[Br-]

InChI

InChI=1S/C16H15N2O2.BrH/c1-17(2)13-7-9-18(10-8-13)14-11-12-5-3-4-6-15(12)20-16(14)19;/h3-11H,1-2H3;1H/q+1;/p-1